4JIA
JAK2 kinase (JH1 domain) in complex with compound 9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2008-02-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 107.420, 70.200, 50.540 |
| Unit cell angles | 90.00, 98.95, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.850 |
| R-factor | 0.17173 |
| Rwork | 0.170 |
| R-free | 0.20166 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b7a |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.268 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.850 |
| Number of reflections | 31686 |
| <I/σ(I)> | 15 |
| Completeness [%] | 99.8 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 300 | ammonium acetate, PEG 8000, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
